5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol

C15H14ClN3O — CID 115473460

IUPAC5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
SMILESCC(C)n1c(-c2cncc(O)c2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN3O/c1-9(2)19-14-6-11(16)3-4-13(14)18-15(19)10-5-12(20)8-17-7-10/h3-9,20H,1-2H3
InChIKeyYSVGWAGSKZPICH-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.04
Rot. Bonds2

About 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol

5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol (PubChem CID 115473460) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
PubChem CID115473460
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
SMILESCC(C)n1c(-c2cncc(O)c2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN3O/c1-9(2)19-14-6-11(16)3-4-13(14)18-15(19)10-5-12(20)8-17-7-10/h3-9,20H,1-2H3
InChIKeyYSVGWAGSKZPICH-UHFFFAOYSA-N
XLogP4.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 63852215
5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-amine
CID 115473071
5-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 63850340
5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704544
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylaniline
CID 115472973
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793667
[5-(1-propan-2-ylbenzimidazol-2-yl)-3-pyridinyl]methanol
CID 163530387
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
CID 104698506
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915206

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol?
The IUPAC name of 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol (CID 115473460) is 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol.
What is the SMILES notation for 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol?
The canonical SMILES for 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol is CC(C)n1c(-c2cncc(O)c2)nc2ccc(Cl)cc21.
What is the InChIKey of 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol?
The InChIKey is YSVGWAGSKZPICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9(2)19-14-6-11(16)3-4-13(14)18-15(19)10-5-12(20)8-17-7-10/h3-9,20H,1-2H3.
What are the key properties of 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol?
5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol has a molecular weight of 287.75 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol is sourced from PubChem (CID 115473460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).